1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole

C15H16ClN3O2S — CID 87498028

IUPAC1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole
SMILESCCCS(=O)(=O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1
InChIInChI=1S/C15H16ClN3O2S/c1-2-7-22(20,21)12-3-4-13-11(8-12)5-6-19(13)15-9-14(16)17-10-18-15/h3-4,8-10H,2,5-7H2,1H3
InChIKeyYRLLAYAZUSIYRY-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.01
Rot. Bonds4

About 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole

1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole (PubChem CID 87498028) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole
PubChem CID87498028
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole
SMILESCCCS(=O)(=O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1
InChIInChI=1S/C15H16ClN3O2S/c1-2-7-22(20,21)12-3-4-13-11(8-12)5-6-19(13)15-9-14(16)17-10-18-15/h3-4,8-10H,2,5-7H2,1H3
InChIKeyYRLLAYAZUSIYRY-UHFFFAOYSA-N
XLogP3.01
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[6-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59566490
1-[6-(azetidin-3-yloxy)pyrimidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole
CID 90825088
N-ethyl-1-(6-ethylpyrimidin-4-yl)-2,3-dihydroindole-6-sulfonamide
CID 71996117
O-methyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carbothioate
CID 123564398
tert-butyl 3-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 58116590
tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate
CID 66894255
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N,N-dipropylpropanamide
CID 20853417
propan-2-yl 4-[6-[5-(methylsulfamoyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68561417
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
2-fluoro-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68671305
cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68563988
benzyl (2S,4S)-2-methyl-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 131729852

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole (CID 87498028) is 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole is CCCS(=O)(=O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole?
The InChIKey is YRLLAYAZUSIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-2-7-22(20,21)12-3-4-13-11(8-12)5-6-19(13)15-9-14(16)17-10-18-15/h3-4,8-10H,2,5-7H2,1H3.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole?
1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole has a molecular weight of 337.83 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-5-propylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 87498028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).